2-N,4-N-ditert-butyl-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine

C14H23N7 — CID 3239868

IUPAC2-N,4-N-ditert-butyl-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)Nc1nc(NC(C)(C)C)nc(-n2ccnc2)n1
InChIInChI=1S/C14H23N7/c1-13(2,3)19-10-16-11(20-14(4,5)6)18-12(17-10)21-8-7-15-9-21/h7-9H,1-6H3,(H2,16,17,18,19,20)
InChIKeyKPRCKWODICKQRK-UHFFFAOYSA-N
MW289.39 g/mol
LogP2.48
Rot. Bonds3

About 2-N,4-N-ditert-butyl-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine

2-N,4-N-ditert-butyl-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 3239868) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is 2-N,4-N-ditert-butyl-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-ditert-butyl-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID3239868
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC Name2-N,4-N-ditert-butyl-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)Nc1nc(NC(C)(C)C)nc(-n2ccnc2)n1
InChIInChI=1S/C14H23N7/c1-13(2,3)19-10-16-11(20-14(4,5)6)18-12(17-10)21-8-7-15-9-21/h7-9H,1-6H3,(H2,16,17,18,19,20)
InChIKeyKPRCKWODICKQRK-UHFFFAOYSA-N
XLogP2.48
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-ditert-butyl-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-ditert-butyl-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine (CID 3239868) is 2-N,4-N-ditert-butyl-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-ditert-butyl-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-ditert-butyl-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine is CC(C)(C)Nc1nc(NC(C)(C)C)nc(-n2ccnc2)n1.
What is the InChIKey of 2-N,4-N-ditert-butyl-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is KPRCKWODICKQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c1-13(2,3)19-10-16-11(20-14(4,5)6)18-12(17-10)21-8-7-15-9-21/h7-9H,1-6H3,(H2,16,17,18,19,20).
What are the key properties of 2-N,4-N-ditert-butyl-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
2-N,4-N-ditert-butyl-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 289.39 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-ditert-butyl-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3239868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).